3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinoline

• ChemBase ID: 180660
• Molecular Formular: C18H20N2
• Molecular Mass: 264.3648
• Monoisotopic Mass: 264.16264865
• SMILES: c12c(c3c(nc2C)CC(CC3)(C)C)c2c([nH]1)cccc2
• Canonical SMILES: Cc1nc2CC(C)(C)CCc2c2c1[nH]c1c2cccc1
• InChI: InChI=1S/C18H20N2/c1-11-17-16(12-6-4-5-7-14(12)20-17)13-8-9-18(2,3)10-15(13)19-11/h4-7,20H,8-10H2,1-3H3
• InChIKey: OOXPNIOUQDUXJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinoline
• IUPAC Traditional name: 3,3,6-trimethyl-1H,2H,4H,7H-indolo[2,3-c]quinoline

Database IDs

• PubChem SID: 164236570
• PubChem CID: 5420784

CALCULATED PROPERTIES

• Acid pKa: 13.986743
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.902965
• LogD (pH = 7.4): 3.8637075
• Log P: 3.9178197
• Molar Refractivity: 81.9889 cm^3
• Polarizability: 34.25391 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds